4-[6-[4-(3,4-dimethyl-2-oxopentyl)-4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile

C32H42N6O3 — CID 146983167

IUPAC4-[6-[4-(3,4-dimethyl-2-oxopentyl)-4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCCOc1cc(-c2ccc(N3CCC(CC(=O)C(C)C(C)C)(CN4CCOCC4)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C32H42N6O3/c1-5-41-27-16-28(31-26(18-33)20-35-38(31)21-27)25-6-7-30(34-19-25)37-10-8-32(9-11-37,17-29(39)24(4)23(2)3)22-36-12-14-40-15-13-36/h6-7,16,19-21,23-24H,5,8-15,17,22H2,1-4H3
InChIKeyAOSIPULEHGYXOC-UHFFFAOYSA-N
MW558.73 g/mol
LogP4.84
Rot. Bonds10

About 4-[6-[4-(3,4-dimethyl-2-oxopentyl)-4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-[4-(3,4-dimethyl-2-oxopentyl)-4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 146983167) has the molecular formula C32H42N6O3 and a molecular weight of 558.73 g/mol. Its IUPAC name is 4-[6-[4-(3,4-dimethyl-2-oxopentyl)-4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[6-[4-(3,4-dimethyl-2-oxopentyl)-4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID146983167
Molecular FormulaC32H42N6O3
Molecular Weight558.73 g/mol
Exact Mass558.33
IUPAC Name4-[6-[4-(3,4-dimethyl-2-oxopentyl)-4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCCOc1cc(-c2ccc(N3CCC(CC(=O)C(C)C(C)C)(CN4CCOCC4)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C32H42N6O3/c1-5-41-27-16-28(31-26(18-33)20-35-38(31)21-27)25-6-7-30(34-19-25)37-10-8-32(9-11-37,17-29(39)24(4)23(2)3)22-36-12-14-40-15-13-36/h6-7,16,19-21,23-24H,5,8-15,17,22H2,1-4H3
InChIKeyAOSIPULEHGYXOC-UHFFFAOYSA-N
XLogP4.84
TPSA95.99 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.73
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[6-[4-(3,4-dimethyl-2-oxopentyl)-4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile with MolForge

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Related Compounds

6-ethoxy-4-[6-[4-(morpholin-4-ylmethyl)-4-(4,4,4-trifluoro-2-oxobutyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 147776641
propan-2-yl 2-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(4-ethylpiperazin-1-yl)methyl]piperidin-4-yl]acetate
CID 148856587
propan-2-yl N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]carbamate
CID 134435438
[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl] carbamate
CID 175200533
(3R)-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]-3-hydroxybutanamide
CID 134496976
6-ethoxy-4-[6-[4-(3-morpholin-4-yl-2-oxopropyl)-4-(pyridin-2-ylmethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 148808569
1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(2-morpholin-4-ylethoxymethyl)piperidine-4-carboxylic acid
CID 134434541
1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methyl-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide;sulfane
CID 162083005
4-[6-[4-[(3S)-3,4-dimethylpentanoyl]-4-methylpiperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 153041225
1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-ethyl-N-(2-methylpropyl)piperidine-4-carboxamide
CID 134436096
4-[6-[4-[2-(3-chloro-5-fluoro-2-pyridinyl)-2-oxoethyl]-4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 147642564
1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(4-ethylpiperazin-1-yl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 134436098

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-(3,4-dimethyl-2-oxopentyl)-4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[6-[4-(3,4-dimethyl-2-oxopentyl)-4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile (CID 146983167) is 4-[6-[4-(3,4-dimethyl-2-oxopentyl)-4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[6-[4-(3,4-dimethyl-2-oxopentyl)-4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[6-[4-(3,4-dimethyl-2-oxopentyl)-4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile is CCOc1cc(-c2ccc(N3CCC(CC(=O)C(C)C(C)C)(CN4CCOCC4)CC3)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of 4-[6-[4-(3,4-dimethyl-2-oxopentyl)-4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is AOSIPULEHGYXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42N6O3/c1-5-41-27-16-28(31-26(18-33)20-35-38(31)21-27)25-6-7-30(34-19-25)37-10-8-32(9-11-37,17-29(39)24(4)23(2)3)22-36-12-14-40-15-13-36/h6-7,16,19-21,23-24H,5,8-15,17,22H2,1-4H3.
What are the key properties of 4-[6-[4-(3,4-dimethyl-2-oxopentyl)-4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[6-[4-(3,4-dimethyl-2-oxopentyl)-4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 558.73 g/mol, XLogP of 4.84, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-(3,4-dimethyl-2-oxopentyl)-4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 146983167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).